| General Property |
| Molceule ID (DB) | EGIN0002525 |
| Inhibitor Class | Iso-quinoline |
| Molecule Name in Refrence Article | 11 compound |
| IUPAC Name | N-{1-[(3-bromophenyl)amino]-4-cyanoisoquinolin-7-yl}-3-(4-methylpiperazin-1-yl)propanamide |
| Formula | C24H25BrN6O |
| Mass | 493.399 |
| Exact Mass | 492.1273221 |
| Composition | C (58.42%), H (5.11%), Br (16.19%), N (17.03%), O (3.24%) |
| Atom Count | 57 |
| PI | 11.08 |
| Smiles | c1(ccc2c(c1)c(ncc2C#N)Nc1cc(ccc1)Br)NC(=O)CCN1CCN(CC1)C |
| InChI | 1S/C24H25BrN6O/c1-30-9-11-31(12-10-30)8-7-23(32)28-20-5-6-21-17(15-26)16-27-24(22(21)14-20)29-19-4-2
-3-18(25)13-19/h2-6,13-14,16H,7-12H2,1H3,(H,27,29)(H,28,32) |
| InChIKey | NUEIZCVGJKOLIS-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 21130659 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | MLCK | |
| Pub Chem Link |
53324357
|
| Drug Bank Link | - |
| ChemSpider Link | 26377472 |
| ChEMBL Link | CHEMBL1641992 |
